CID 11495121

Chembl209164

Structural Information

Molecular Formula
C23H24N4OS
SMILES
C1CC(C1)C2=CN=C(O2)NC(=S)NN=C(CC3=CC=CC=C3)CC4=CC=CC=C4
InChI
InChI=1S/C23H24N4OS/c29-23(25-22-24-16-21(28-22)19-12-7-13-19)27-26-20(14-17-8-3-1-4-9-17)15-18-10-5-2-6-11-18/h1-6,8-11,16,19H,7,12-15H2,(H2,24,25,27,29)
InChIKey
CBGVFXLSJABWPU-UHFFFAOYSA-N
Compound name
1-(5-cyclobutyl-1,3-oxazol-2-yl)-3-(1,3-diphenylpropan-2-ylideneamino)thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

404.16708 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 405.17436 194.2
[M+Na]+ 427.15630 194.8
[M-H]- 403.15980 205.5
[M+NH4]+ 422.20090 196.8
[M+K]+ 443.13024 193.7
[M+H-H2O]+ 387.16434 176.8
[M+HCOO]- 449.16528 211.4
[M+CH3COO]- 463.18093 201.6
[M+Na-2H]- 425.14175 194.1
[M]+ 404.16653 201.9
[M]- 404.16763 201.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.